[AMBER] pmemd.cuda error amber14

From: Pierpaolo Cacciotto <pierpaolo.cacciotto.dsf.unica.it>
Date: Mon, 28 Apr 2014 18:05:09 +0200

Dear all,

I would like to use the new Amber14 pmemd.cuda to run a simulation of a
protein in explicit solvent (trucated octahedral box, ~180,000 atoms)
using a GeForce GTX 780. I used ParmEd to edit the old toplogy file (the
one I am still using with Amber12) and I created a new one with H-masses
set to 4.032 in order to use the 4fs timestep. I used the new topology and
a new rst file (generated with ParmEd) to run the simulation. It runs for
a while but then stops with the following message

"Error: unspecified launch failure launching kernel kClearForces
cudaFree GpuBuffer::Deallocate failed unspecified launch failure"

Could you suggest me how to fix this error?

Thanks for your help!
Regards,
Pierpaolo 




-- 
Pierpaolo Cacciotto - PhD Student
Department of Physics
University of Cagliari
Cittadella Universitaria
09042 Monserrato - Italy
Phone: +39 070 675 4839
E-mail: pierpaolo.cacciotto.dsf.unica.it
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Received on Mon Apr 28 2014 - 09:30:02 PDT
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